B4IPS1 -OEChem-04012117212D 42 45 0 1 0 0 0 0 0999 V2000 7.4714 -0.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 1.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 2.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 -1.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8831 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 0.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 -0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7771 -1.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5251 0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5251 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4714 1.5378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6752 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 1.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 2.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -1.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -1.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 0.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3967 -0.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3645 0.7569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 0.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 -2.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -3.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 -3.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 -3.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -3.2649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 -2.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7795 -2.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0838 1.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2157 -1.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 0.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 1.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3713 2.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9746 3.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1927 2.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 19 2 0 0 0 0 3 21 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 19 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 1 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$